2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C66H44N6 — CID 20652057

IUPAC2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C66H44N6/c1-5-13-45(14-6-1)49-21-33-55(34-22-49)61-67-62(56-35-23-50(24-36-56)46-15-7-2-8-16-46)70-65(69-61)59-41-29-53(30-42-59)54-31-43-60(44-32-54)66-71-63(57-37-25-51(26-38-57)47-17-9-3-10-18-47)68-64(72-66)58-39-27-52(28-40-58)48-19-11-4-12-20-48/h1-44H
InChIKeySJPHNSGVCYATOM-UHFFFAOYSA-N
MW921.12 g/mol
LogP16.39
Rot. Bonds11

About 2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 20652057) has the molecular formula C66H44N6 and a molecular weight of 921.12 g/mol. Its IUPAC name is 2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID20652057
Molecular FormulaC66H44N6
Molecular Weight921.12 g/mol
Exact Mass920.36
IUPAC Name2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C66H44N6/c1-5-13-45(14-6-1)49-21-33-55(34-22-49)61-67-62(56-35-23-50(24-36-56)46-15-7-2-8-16-46)70-65(69-61)59-41-29-53(30-42-59)54-31-43-60(44-32-54)66-71-63(57-37-25-51(26-38-57)47-17-9-3-10-18-47)68-64(72-66)58-39-27-52(28-40-58)48-19-11-4-12-20-48/h1-44H
InChIKeySJPHNSGVCYATOM-UHFFFAOYSA-N
XLogP16.39
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.12
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 20652057) is 2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is SJPHNSGVCYATOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N6/c1-5-13-45(14-6-1)49-21-33-55(34-22-49)61-67-62(56-35-23-50(24-36-56)46-15-7-2-8-16-46)70-65(69-61)59-41-29-53(30-42-59)54-31-43-60(44-32-54)66-71-63(57-37-25-51(26-38-57)47-17-9-3-10-18-47)68-64(72-66)58-39-27-52(28-40-58)48-19-11-4-12-20-48/h1-44H.
What are the key properties of 2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 921.12 g/mol, XLogP of 16.39, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 20652057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).